6S40
Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.090, 112.115, 62.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.040 - 1.900 |
R-factor | 0.16702 |
Rwork | 0.165 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5moc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.593 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.040 | 1.987 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.036 | 0.190 |
Rmeas | 0.050 | 0.268 |
Number of reflections | 22929 | 2050 |
<I/σ(I)> | 23.96 | 4.27 |
Completeness [%] | 99.0 | 90.23 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.998 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT. |